Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3641432 | 0.78 | CYP1A2 (0.44) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL28261465 | 0.77 | NPC1 (0.43) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL4385940 | 0.76 | CYP1A2 (0.42) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL28260147 | 0.75 | CYP1A2 (0.44) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL28163760 | 0.74 | CYP1A2 (0.40) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL29542978 | 0.73 | CYP1A2 (0.47) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL14722433 | 0.73 | CYP1A2 (0.47) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL29542562 | 0.73 | CYP1A2 (0.47) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL454461 | 0.73 | CYP1A2 (0.42) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL29278701 | 0.73 | CYP1A2 (0.42) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007133349-A2 | FLUOROUS 2,2'-BIPYRIDINES AND FLUORINATED BIPHASIC SYSTEMS FOR LIGAND DESIGN | THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS (US) | 2007-11-22 | — | — | WO | disclosed |